1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one

C13H14N2O4 — CID 3073159

IUPAC1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one
SMILESCOc1ccc(-n2ccc(=O)c(OC)n2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-17-11-5-4-9(8-12(11)18-2)15-7-6-10(16)13(14-15)19-3/h4-8H,1-3H3
InChIKeyVEBAFICDNOSQEK-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.26
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one

1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one (PubChem CID 3073159) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one
PubChem CID3073159
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one
SMILESCOc1ccc(-n2ccc(=O)c(OC)n2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-17-11-5-4-9(8-12(11)18-2)15-7-6-10(16)13(14-15)19-3/h4-8H,1-3H3
InChIKeyVEBAFICDNOSQEK-UHFFFAOYSA-N
XLogP1.26
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3045255
CID 3045255
CID 3045256
CID 3045256
CID 27376438
CID 27376438
CID 67869656
CID 67869656
CID 59370153
CID 59370153
CID 59436149
CID 59436149
CID 59436151
CID 59436151
CID 59436254
CID 59436254
CID 59436261
CID 59436261
CID 67428964
CID 67428964
CID 67566744
CID 67566744
CID 67569481
CID 67569481

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one (CID 3073159) is 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one is COc1ccc(-n2ccc(=O)c(OC)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one?
The InChIKey is VEBAFICDNOSQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-11-5-4-9(8-12(11)18-2)15-7-6-10(16)13(14-15)19-3/h4-8H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one?
1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one has a molecular weight of 262.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one is sourced from PubChem (CID 3073159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).